NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.4085 0.0000 0.0000 62.1321 32.8304 176.5786 5 I 3.5297 8.7295 125.1152 63.8424 37.2161 176.4362 6 L 4.6859 7.7714 119.3700 53.6032 43.1576 175.7309 7 K 3.9116 7.4576 118.8387 58.6959 32.2797 176.4297 8 D 4.7981 8.9707 124.1159 54.1231 38.9280 174.3680 9 V 3.9160 7.7039 120.8679 62.5051 32.9984 174.8898 10 V 4.8124 8.9827 127.7096 61.3745 33.6409 173.7902 11 A 5.3109 9.2325 130.7782 50.4503 21.8707 174.5398 12 Y 5.0212 8.9436 122.0772 55.6758 41.7541 174.4345 13 V 4.6115 7.8065 125.9094 61.2362 33.9489 174.8782 14 E 4.5750 9.2654 127.3944 54.2594 32.0137 173.7238 15 V 4.5823 9.0040 123.8082 60.8230 33.9134 174.0024 16 W 5.4022 8.9991 127.9031 54.2728 32.5993 176.0418 17 S 4.4986 9.3830 117.3527 58.2943 63.1779 175.7072 18 S 4.0876 8.8843 116.4771 61.2228 62.7490 175.0492 19 N 4.4093 7.6528 113.9941 53.1309 37.2635 175.7486 20 G 3.8877 8.4030 107.3798 46.4467 0.0000 174.3218 21 T 4.6890 9.6503 110.3454 60.8664 70.7237 173.9006 22 E 4.4174 8.5192 122.3964 54.3292 31.4730 174.0490 23 N 3.6728 8.0176 122.7763 52.1837 39.5511 173.7128 24 Y 4.4777 8.5985 123.2528 58.0816 38.5331 178.1143 25 S 4.2403 8.4068 120.4440 61.4714 62.7432 176.3720 26 K 3.8806 7.9520 122.2698 59.7337 31.4034 178.7831 27 T 3.7818 7.4983 109.4206 64.6350 68.6410 176.4957 28 F 4.3306 8.0550 119.9180 59.9511 39.0873 177.7159 29 T 3.9065 8.1927 115.8318 67.1544 68.3216 176.3615 30 T 3.8356 7.8731 117.2741 66.9316 68.2512 176.6026 31 Q 3.9460 7.4703 117.6999 58.8669 29.1449 178.5420 32 L 4.1074 8.0089 119.9539 57.9278 41.4914 179.8402 33 V 3.9859 7.7233 118.3272 65.1690 31.5729 178.2739 34 D 4.6609 7.8945 119.0555 54.0073 40.8188 177.2253 *36 G 3.9917 8.0220 104.6638 45.5765 0.0000 173.8432 37 A 4.6102 7.9841 122.4264 51.6781 20.2075 176.7899 38 K 4.6040 8.8348 118.8593 54.9181 34.5750 175.9262 39 V 4.8521 8.3181 123.5148 61.2344 33.4623 174.5989 40 S 4.7356 9.0808 123.6293 57.1494 62.9078 174.5879 41 K 4.3239 8.9901 125.6947 58.6293 32.2772 177.1122 42 T 4.7639 7.6000 106.8583 59.5519 71.5961 174.3601 43 F 4.1902 7.9409 125.8310 57.0343 37.4134 174.5822 44 N 4.8680 7.8213 122.9235 50.7851 40.0366 176.4035 45 K 4.1277 8.4993 116.3111 58.8356 32.3154 177.8979 46 Q 4.2973 8.2208 115.3288 56.1438 29.2067 176.3213 47 V 3.8832 7.5752 119.6076 63.7740 32.1078 175.3012 48 T 4.5345 9.1532 117.2347 62.5165 71.1732 174.1317 49 H 4.9356 8.0886 118.4921 53.7594 33.3219 172.3903 50 V 4.6881 8.8412 122.9952 61.2040 33.9113 174.2691 51 I 4.7303 8.5524 129.7847 60.2322 38.4460 174.6635 52 F 5.1542 9.0387 129.7995 56.1750 42.0765 174.2571 53 K 4.2426 8.5051 127.4442 54.9962 35.1556 175.6201 54 D 4.4581 8.5884 129.0009 55.1488 38.9242 174.5076 55 G 3.4669 5.8079 109.8491 45.0830 0.0000 173.6416 56 Y 4.3461 8.9975 118.3655 57.3409 39.9283 176.2453 57 Q 4.1988 8.9749 124.8065 59.4974 29.2121 178.9346 58 S 4.2496 8.3374 114.8316 61.8353 62.9455 176.6129 59 T 4.2601 8.1712 118.8628 66.1344 68.4249 176.2669 60 W 3.8381 8.3943 130.1621 60.5768 30.7159 177.6723 61 D 4.4237 8.6974 119.1322 57.3424 40.2664 178.7891 62 K 3.8213 8.3125 119.8454 59.3596 32.2087 178.6821 63 A 4.1899 8.3349 121.1321 55.4166 18.2741 179.6831 64 Q 3.7175 7.8411 116.5279 58.7658 28.4735 178.9223 65 K 4.0164 7.7046 119.9429 59.0332 32.4021 178.2822 66 R 4.3646 7.9649 115.2439 55.1311 30.4153 176.6598 67 G 3.8045 7.4280 105.3749 46.3466 0.0000 173.9250 68 V 3.8716 7.4777 119.4315 61.5767 32.6172 175.9098 69 K 3.7318 8.0911 125.7877 57.1701 33.3515 175.6938 70 L 4.9208 8.3486 125.4249 53.3101 43.3994 175.9303 71 V 5.0099 8.5272 117.6258 59.2741 35.7383 175.9162 72 S 4.8672 8.8198 118.1734 57.6221 64.8316 175.6941 73 V 3.5186 8.3331 112.7462 64.1270 30.9662 178.7184 74 L 4.0794 7.6682 117.8023 57.0973 41.3744 179.1868 75 W 3.1410 8.0370 128.8710 59.9326 30.6689 178.1961 76 V 3.1197 7.7430 117.7383 65.7213 31.1005 177.2336 77 E 3.8327 7.9069 118.8229 59.2671 29.4757 178.7295 78 K 3.7784 7.8818 119.7287 59.7134 32.3285 178.3721 79 C 4.3158 7.3829 118.2036 62.0515 27.6422 176.3008 80 R 3.7649 7.3197 118.7941 59.5529 29.8051 178.2933 81 T 3.9398 7.9501 114.3744 66.6396 68.6484 176.0453 82 A 4.2673 8.3697 120.1450 51.7144 19.0875 177.2287 83 G 3.8199 7.8550 104.5074 45.8468 0.0000 173.4858 84 A 4.5623 7.3154 119.2045 50.3817 22.2774 176.3269 85 H 4.5360 8.5548 120.1689 55.4442 28.4300 174.9755 86 I 4.0167 7.7806 126.1455 60.4506 38.0306 175.8599 87 D 4.6040 8.8606 123.6937 54.3961 41.6916 177.1480 88 E 4.0031 9.0754 126.6230 59.2450 29.2248 179.2720 89 S 4.2134 8.1901 113.4876 60.8101 63.0939 175.7749 90 L 4.1984 7.8525 121.0136 55.6495 43.1370 176.6683 91 F 4.9723 8.2147 117.4407 55.5511 38.9557 172.7101 92 P 4.9790 0.0000 0.0000 62.2252 32.4425 178.1089 93 A 4.5340 8.5754 125.1588 51.9629 19.1963 176.7715 94 A 4.9002 8.7727 121.8446 50.3554 21.9451 176.3864 95 N 4.2658 7.9325 117.2595 53.5356 39.0949 174.2372 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 P 0.00 4.41 0.00 2.20 2.05 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 5 I 8.73 3.53 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.30 0.83 0.00 0.00 6 L 7.77 4.69 0.00 1.65 1.63 0.67 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.46 3.91 0.00 1.84 1.84 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 8 D 8.97 4.80 0.00 2.95 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.70 3.92 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.02 0.00 0.00 10 V 8.98 4.81 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 11 A 9.23 5.31 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.94 5.02 0.00 2.93 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.81 4.61 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 14 E 9.27 4.58 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 15 V 9.00 4.58 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.67 0.00 0.00 16 W 9.00 5.40 0.00 3.15 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 9.38 4.50 0.00 4.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.88 4.09 0.00 3.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.65 4.41 0.00 2.87 3.02 0.00 0.00 6.94 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.40 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 9.65 4.69 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 22 E 8.52 4.42 0.00 2.13 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 23 N 8.02 3.67 0.00 1.44 2.01 0.00 0.00 7.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.60 4.48 0.00 3.18 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.41 4.24 0.00 3.75 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.95 3.88 0.00 1.73 1.72 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 27 T 7.50 3.78 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 28 F 8.06 4.33 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.19 3.91 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 30 T 7.87 3.84 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 31 Q 7.47 3.95 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 32 L 8.01 4.11 0.00 1.91 1.76 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.72 3.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.00 0.00 0.00 34 D 7.89 4.66 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 G 8.02 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.98 4.61 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.83 4.60 0.00 1.76 1.76 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.39 7.81 39 V 8.32 4.85 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.97 0.00 0.00 40 S 9.08 4.74 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.99 4.32 0.00 1.87 1.96 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.43 7.81 42 T 7.60 4.76 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 43 F 7.94 4.19 0.00 1.94 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.82 4.87 0.00 2.99 2.98 0.00 0.00 6.14 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.50 4.13 0.00 1.76 1.91 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.37 7.81 46 Q 8.22 4.30 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 47 V 7.58 3.88 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.10 0.00 0.00 48 T 9.15 4.53 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 49 H 8.09 4.94 0.00 3.05 3.03 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.84 4.69 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.37 0.00 0.00 51 I 8.55 4.73 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.62 0.85 0.00 0.00 52 F 9.04 5.15 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.51 4.24 0.00 1.68 1.45 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.36 7.81 54 D 8.59 4.46 0.00 2.94 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 5.81 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.00 4.35 0.00 3.18 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.97 4.20 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 58 S 8.34 4.25 0.00 4.15 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.17 4.26 5.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 60 W 8.39 3.84 0.00 3.06 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.70 4.42 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.31 3.82 0.00 1.67 1.73 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.69 1.08 7.81 63 A 8.33 4.19 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.84 3.72 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 1.61 2.06 0.00 65 K 7.70 4.02 0.00 1.81 1.96 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 66 R 7.96 4.36 0.00 1.78 1.90 0.00 3.42 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 67 G 7.43 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.48 3.87 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.14 0.00 0.00 69 K 8.09 3.73 0.00 1.49 1.43 0.00 1.24 0.00 0.00 1.40 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.24 7.81 70 L 8.35 4.92 0.00 1.26 1.34 -0.65 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.53 5.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.69 0.00 0.00 72 S 8.82 4.87 0.00 4.02 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.33 3.52 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.80 0.00 0.00 74 L 7.67 4.08 0.00 2.14 1.94 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.04 3.14 0.00 3.37 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.74 3.12 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.13 0.00 0.00 77 E 7.91 3.83 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 78 K 7.88 3.78 0.00 1.51 1.15 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.47 7.81 79 C 7.38 4.32 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.32 3.76 0.00 1.69 2.02 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 81 T 7.95 3.94 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 82 A 8.37 4.27 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.32 4.56 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.55 4.54 0.00 3.38 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.78 4.02 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 1.26 0.00 0.00 87 D 8.86 4.60 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.08 4.00 0.00 1.98 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 89 S 8.19 4.21 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.85 4.20 0.00 1.96 1.46 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.21 4.97 0.00 3.13 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.98 0.00 2.00 2.00 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 93 A 8.58 4.53 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.77 4.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.93 4.27 0.00 1.44 1.42 0.00 0.00 6.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.